4-Azatricyclo[5.3.1.02,6]undecan-3-one

C10H15NO — CID 58097974

IUPAC4-azatricyclo[5.3.1.02,6]undecan-3-one
SMILESC1CC2CC(C1)C3C2CNC3=O
InChIInChI=1S/C10H15NO/c12-10-9-7-3-1-2-6(4-7)8(9)5-11-10/h6-9H,1-5H2,(H,11,12)
InChIKeyJJMKBBXWTFSBMU-UHFFFAOYSA-N
MW165.23 g/mol
LogP1.80
Rot. Bonds

About 4-Azatricyclo[5.3.1.02,6]undecan-3-one

4-Azatricyclo[5.3.1.02,6]undecan-3-one (PubChem CID 58097974) has the molecular formula C10H15NO and a molecular weight of 165.23 g/mol. Its IUPAC name is 4-azatricyclo[5.3.1.02,6]undecan-3-one.

Molecular Properties

Compound Name4-Azatricyclo[5.3.1.02,6]undecan-3-one
PubChem CID58097974
Molecular FormulaC10H15NO
Molecular Weight165.23 g/mol
Exact Mass165.12
IUPAC Name4-azatricyclo[5.3.1.02,6]undecan-3-one
SMILESC1CC2CC(C1)C3C2CNC3=O
InChIInChI=1S/C10H15NO/c12-10-9-7-3-1-2-6(4-7)8(9)5-11-10/h6-9H,1-5H2,(H,11,12)
InChIKeyJJMKBBXWTFSBMU-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity226

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-Azatricyclo[5.3.1.02,6]undecan-3-one?
The IUPAC name of 4-Azatricyclo[5.3.1.02,6]undecan-3-one (CID 58097974) is 4-azatricyclo[5.3.1.02,6]undecan-3-one.
What is the SMILES notation for 4-Azatricyclo[5.3.1.02,6]undecan-3-one?
The canonical SMILES for 4-Azatricyclo[5.3.1.02,6]undecan-3-one is C1CC2CC(C1)C3C2CNC3=O.
What is the InChIKey of 4-Azatricyclo[5.3.1.02,6]undecan-3-one?
The InChIKey is JJMKBBXWTFSBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c12-10-9-7-3-1-2-6(4-7)8(9)5-11-10/h6-9H,1-5H2,(H,11,12).
What are the key properties of 4-Azatricyclo[5.3.1.02,6]undecan-3-one?
4-Azatricyclo[5.3.1.02,6]undecan-3-one has a molecular weight of 165.23 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Azatricyclo[5.3.1.02,6]undecan-3-one is sourced from PubChem (CID 58097974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).